Provides comprehensive knowledge on concepts, theoretical methods and state-of-the-art computational techniques for the simulation of self-assembling systems
* Looks at the field of self-assembly from a theoretical perspective
* Highlights the importance of theoretical studies and tailored computer simulations to support the design of new self-assembling materials with useful properties
* Divided into three parts covering the basic principles of self-assembly, methodology, and emerging topics
Table des matières
List of Contributors
Preface
Chapter 1: Theoretical Studies and Tailored Computer Simulations in Self-Assembling Systems: A General Aspect
Chapter 2: Developing Hybrid Modeling Methods to Simulate Self-Assembly in Polymer Nanocomposites
Chapter 3: Theory and simulation studies of self-assembly of helical particles
Chapter 4: Self-consistent field theory of self-assembling multiblock copolymers
Chapter 5: Simulation models of soft Janus and patchy particles
Chapter6: Molecular Models for Hepatitis B Virus Capsid Formation, Maturation and Envelopment
Chapter 7: Simulation studies of metal-ligand self-assembly
Chapter 8: Simulations on cell uptake of nanoparticles: membrane-mediated interaction, internalization pathways, and cooperative effect
Chapter 9: Theories for Polymer Melts Consisting of Rod-Coil Polymers
Chapter 10: Theoretical and Simulation Studies of Hierarchical Nanostructures Self-Assembled from Soft Matter Systems
Chapter 11: Nucleation in Colloidal Systems: Theory and Simulations
Chapter 12: Atomistic and Coarse Grained Simulation of Liquid Crystals
A propos de l’auteur
Professor Li-Tang Yan, Tsinghua University, China
Professor Yan’s research focuses on computational macromolecular science, materials design and self-assembly. He uses multiscale modeling and simulation methods as well as theoretical analysis to explore the basic science and the fundamental principles in studies spanning polymer science, nanoscience, biomacromolecules and biomembranes.
Professor Yan has published more than 60 papers in peer reviewed journals such as Nano Letters, ACS Nano, Biomaterials, Scientific Reports, JPC Lett, Nanoscale; these articles cover some important directions in the field of self-assembling systems, e.g., polymer nanocomposites, self-assembly in biomembranes, and self-assembly of nanoparticles to various suprastructures. In 2013 he published an invited review articles in Progress in Polymer Science, entitled ‘Computational Modeling and Simulation of Nanoparticle Self-Assembly in Polymeric Systems: Structures, Properties and External Field Effects’.
In 2014 he received an Excellent Young Investigator Award from NSFC (Natural Science Foundation of China).
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